9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]carbazole

C43H26N4O — CID 167549147

IUPAC9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c5ccc(-n6c7ccccc7c7ccccc76)cc5oc4c4ccccc34)n2)cc1
InChIInChI=1S/C43H26N4O/c1-3-13-27(14-4-1)41-44-42(28-15-5-2-6-16-28)46-43(45-41)36-26-35-33-24-23-29(25-39(33)48-40(35)34-20-8-7-17-30(34)36)47-37-21-11-9-18-31(37)32-19-10-12-22-38(32)47/h1-26H
InChIKeyCDDZYUNKPALHQR-UHFFFAOYSA-N
MW614.71 g/mol
LogP11.02
Rot. Bonds4

About 9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]carbazole

9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]carbazole (PubChem CID 167549147) has the molecular formula C43H26N4O and a molecular weight of 614.71 g/mol. Its IUPAC name is 9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]carbazole.

Molecular Properties

Compound Name9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]carbazole
PubChem CID167549147
Molecular FormulaC43H26N4O
Molecular Weight614.71 g/mol
Exact Mass614.21
IUPAC Name9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c5ccc(-n6c7ccccc7c7ccccc76)cc5oc4c4ccccc34)n2)cc1
InChIInChI=1S/C43H26N4O/c1-3-13-27(14-4-1)41-44-42(28-15-5-2-6-16-28)46-43(45-41)36-26-35-33-24-23-29(25-39(33)48-40(35)34-20-8-7-17-30(34)36)47-37-21-11-9-18-31(37)32-19-10-12-22-38(32)47/h1-26H
InChIKeyCDDZYUNKPALHQR-UHFFFAOYSA-N
XLogP11.02
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.71
LogP ≤ 511.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-2-phenylcarbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylnaphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole
CID 167691849
7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-[1]benzothiolo[2,3-b]carbazole
CID 167554675
5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-[1]benzothiolo[3,2-c]carbazole
CID 167562279
9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-17-yl]carbazole
CID 146664710
9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 146335707
12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylindolo[2,3-a]carbazole
CID 169059257
CID 174101121
CID 174101121
7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]benzo[c]carbazole
CID 167660567
9-[15-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-yl]carbazole
CID 162781295
9-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]carbazole
CID 166953169
5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]benzo[b]carbazole
CID 154968541
3-carbazol-9-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)chromeno[2,3-b]xanthene-7,14-dione
CID 164765324

Frequently Asked Questions

What is the IUPAC name of 9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]carbazole?
The IUPAC name of 9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]carbazole (CID 167549147) is 9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]carbazole.
What is the SMILES notation for 9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]carbazole?
The canonical SMILES for 9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c5ccc(-n6c7ccccc7c7ccccc76)cc5oc4c4ccccc34)n2)cc1.
What is the InChIKey of 9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]carbazole?
The InChIKey is CDDZYUNKPALHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N4O/c1-3-13-27(14-4-1)41-44-42(28-15-5-2-6-16-28)46-43(45-41)36-26-35-33-24-23-29(25-39(33)48-40(35)34-20-8-7-17-30(34)36)47-37-21-11-9-18-31(37)32-19-10-12-22-38(32)47/h1-26H.
What are the key properties of 9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]carbazole?
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]carbazole has a molecular weight of 614.71 g/mol, XLogP of 11.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]carbazole is sourced from PubChem (CID 167549147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).